SCHEMBL5758992

SCHEMBL5758992

CCOC(=O)CCc1ccc(SCc2coc(/C=C/c3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP4Z1 Q86W10 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
LTB4R Q15722 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
ALOX5 P09917 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5758996 1.00 CYP4F2 (0.42) CYP4F2CYP4A11MAPTL3MBTL1CYP4Z1
SCHEMBL5759912 0.88 FFAR1 (0.43) L3MBTL1KDM4ELTB4RHPGDKMT2A
SCHEMBL5759910 0.88 FFAR1 (0.43) L3MBTL1KDM4ELTB4RHPGDKMT2A
SCHEMBL5763599 0.84 FFAR1 (0.53) CYP4F2CYP4A11CYP4Z1
SCHEMBL5763596 0.84 FFAR1 (0.53) CYP4F2CYP4A11CYP4Z1
SCHEMBL5758262 0.80 ERBB2 (0.39) L3MBTL1TDP1KDM4ELTB4RALDH1A1
SCHEMBL5758259 0.80 ERBB2 (0.39) L3MBTL1TDP1KDM4ELTB4RALDH1A1
SCHEMBL8575573 0.79 PPARG (0.39) L3MBTL1KDM4EHPGDKMT2A
SCHEMBL8575556 0.79 PPARG (0.39) L3MBTL1KDM4EHPGDKMT2A
SCHEMBL5760031 0.79 FFAR1 (0.48) CYP4Z1FAAHALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO disclosed